Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.63 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | BCHE | P06276 | 1/20 | 0.55 |
| ▸ | ATM | Q13315 | 1/20 | 0.55 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9008918 | 0.99 | POLB (0.61) | POLBTSHRBCHEATMBIRC2 | |
| Hydrochloric Acid SCHEMBL9008916 | 0.99 | POLB (0.61) | POLBTSHRBCHEATMBIRC2 | |
| SCHEMBL9491800 | 0.96 | POLB (0.61) | POLBTSHRBCHEATMBIRC2 | |
| SCHEMBL9490405 | 0.96 | POLB (0.61) | POLBTSHRBCHEATMBIRC2 | |
| SCHEMBL9487005 | 0.96 | POLB (0.61) | POLBTSHRBCHEATMBIRC2 | |
| SCHEMBL28885763 | 0.94 | POLB (0.60) | POLBTSHRBCHEATMBIRC2 | |
| SCHEMBL28953193 | 0.94 | POLB (0.60) | POLBTSHRBCHEATMBIRC2 | |
| SCHEMBL25590532 | 0.94 | POLB (0.60) | POLBTSHRBCHEATMBIRC2 | |
| SCHEMBL12197317 | 0.92 | POLB (0.59) | POLBTSHRATMALDH1A1THRB | |
| SCHEMBL12197316 | 0.91 | POLB (0.58) | POLBTSHRATMALDH1A1THRB |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1689713-A4 | BENZYLETHER AND BENZYLAMINO BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER S DISEASE | MERCK & CO INC (US) | 2009-02-18 | — | — | EP | disclosed |
| EP-1689713-A1 | BENZYLETHER AND BENZYLAMINO BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER S DISEASE | Merck & Co., Inc. (US) | 2006-08-16 | — | — | EP | disclosed |
| WO-2005051914-A1 | BENZYLETHER AND BENZYLAMINO BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2005-06-09 | — | — | WO | disclosed |